ChemSpider 2D Image | (1alpha,3beta,5beta,6beta,11alpha,12beta)-1,3,11-Trihydroxy-5,6-epoxygorgostan-12-yl acetate | C32H52O6

(1α,3β,5β,6β,11α,12β)-1,3,11-Trihydroxy-5,6-epoxygorgostan-12-yl acetate

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID9126798

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,3β,5β,6β,11α,12β)-1,3,11-Trihydroxy-5,6-epoxygorgostan-12-yl acetate [ACD/IUPAC Name]
(1α,3β,5β,6β,11α,12β)-1,3,11-Trihydroxy-5,6-epoxygorgostan-12-yl-acetat [German] [ACD/IUPAC Name]
22,24-Cyclocholane-1,3,11,12-tetrol, 23-[(1R)-1,2-dimethylpropyl]-5,6-epoxy-23-methyl-, 12-acetate, (1α,3β,5β,6β,11α,12β,22R,23R)- [ACD/Index Name]
Acétate de (1α,3β,5β,6β,11α,12β)-1,3,11-trihydroxy-5,6-époxygorgostan-12-yle [French] [ACD/IUPAC Name]
5β,6β-epoxygorgostane-12β-acetoxy-1α,3β,11α-triol
5β,6β-epoxygorgostane-1α,3β,11α,12β-tetrol 12-acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 622.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 191.6±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3715.44
ACD/KOC (pH 5.5): 12502.81
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3715.44
ACD/KOC (pH 7.4): 12502.81
Polar Surface Area: 100 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

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